[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine

C6H13NO2S — CID 99990768

IUPAC[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine
SMILESCCS(=O)(=O)[C@H]1C[C@H]1CN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-5(6)4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyOSOLPHVUQUKNHU-WDSKDSINSA-N
MW163.24 g/mol
LogP-0.23
Rot. Bonds3

About [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine

[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine (PubChem CID 99990768) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine
PubChem CID99990768
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine
SMILESCCS(=O)(=O)[C@H]1C[C@H]1CN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-5(6)4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyOSOLPHVUQUKNHU-WDSKDSINSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 64696759
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
CID 64698832
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
[4-ethyl-2-(2-methylsulfonylethylsulfonyl)cyclohexyl]methanamine
CID 64698812
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
CID 107767159
cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde
CID 99990748
4-ethylsulfonyl-3-methylcyclohexan-1-amine
CID 165466810
[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767179
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
[4-(2-methylbutan-2-yl)-2-pentylsulfonylcyclohexyl]methanamine
CID 107766701

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine (CID 99990768) is [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine is CCS(=O)(=O)[C@H]1C[C@H]1CN.
What is the InChIKey of [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine?
The InChIKey is OSOLPHVUQUKNHU-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-10(8,9)6-3-5(6)4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine?
[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine has a molecular weight of 163.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine is sourced from PubChem (CID 99990768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).